Installation¶
📥 Clone the repository¶
Stable version¶
git clone https://github.com/lolicato/OpenMembraneBuilder.git
cd OpenMembraneBuilder
Development version (specific branch)¶
git clone -b development https://github.com/lolicato/OpenMembraneBuilder.git
cd OpenMembraneBuilder
🐍 Conda Environment¶
We recommend installing OpenMembraneBuilder using a Conda environment:
conda env create -f environment.yml
conda activate OpenMembraneBuilder # activate OpenMembraneBuilder-dev for development version
🚀 Run OpenMembraneBuilder¶
GUI mode¶
streamlit run app.py
CLI mode¶
python app.py --no-gui outputs/OpenMembraneBuilder-xxxx/config.json
📦 Notes¶
cobyis used for system generationMDAnalysishandles structure manipulationstreamlitprovides the GUIstreamlit-molstarenables 3D visualization
🔧 Optional (Documentation)¶
If you want to build the documentation locally:
pip install mkdocs mkdocs-material "mkdocstrings[python]"
mkdocs serve